0 mol 16 unq 0 iso 0 dist 6.16328 8.06584 5.47059 5.02127 8.84153 11.5532 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 5.27589 9.24767 8.60952 9.07166 8.85347 10.4972 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.3613 5.39587 9.0284 7.16404 6.85305 10.5785 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.3613 6.47252 14.6063 7.16404 6.85305 9.59696 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.32436 6.94712 5.17091 5.40129 8.62769 7.16132 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 5.84349 7.84956 5.64279 4.16047 8.26838 11.5783 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 5.84349 8.57607 8.32734 4.16047 8.26838 8.27883 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 5.84349 6.1991 4.79063 4.16047 8.26838 5.75428 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 5.84349 5.96246 4.05985 4.16047 8.26838 8.57395 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 6.7095 9.16431 10.2581 5.26061 7.48277 14.1064 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 6.7095 9.16431 10.2581 8.90571 9.0361 13.7125 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 6.88956 5.62245 6.86277 5.88774 7.55805 8.11052 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.60412 8.59103 4.57343 8.36322 8.46734 6.29161 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.65807 9.47287 5.23445 6.73179 7.21902 11.2853 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.58683 9.11314 9.9746 9.28974 9.18691 10.7327 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.42226 6.04336 5.74718 9.40374 7.45401 10.8806 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 8.42226 9.00537 5.85073 9.40374 7.45401 6.61112 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 7.24175 6.28826 5.77142 4.7088 9.4835 10.6947 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 5.46484 5.9625 7.69003 9.62351 9.96011 14.8528 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.49961 9.77592 10.87 17.1024 9.27989 16.333 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 7.84314 7.78879 5.79131 12.2549 6.83069 12.3187 numMergedOcc 0
21 mol 240 unq 1 iso 0 dist 7.84314 7.78879 5.79131 12.5785 9.30995 14.8658 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 5.97672 8.51613 5.16962 6.15778 8.21206 6.59244 numMergedOcc 0
